N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline

C19H22N4O5S — CID 3320010

IUPACN-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESCCc1ccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N4O5S/c1-2-15-3-5-16(6-4-15)14-20-21-18-8-7-17(23(24)25)13-19(18)29(26,27)22-9-11-28-12-10-22/h3-8,13-14,21H,2,9-12H2,1H3
InChIKeyJXLGLABSVVRMEQ-UHFFFAOYSA-N
MW418.48 g/mol
LogP2.62
Rot. Bonds7

About N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline

N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline (PubChem CID 3320010) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
PubChem CID3320010
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESCCc1ccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N4O5S/c1-2-15-3-5-16(6-4-15)14-20-21-18-8-7-17(23(24)25)13-19(18)29(26,27)22-9-11-28-12-10-22/h3-8,13-14,21H,2,9-12H2,1H3
InChIKeyJXLGLABSVVRMEQ-UHFFFAOYSA-N
XLogP2.62
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5176460
N-[(3,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3310986
methyl 4-[[4-[(Z)-[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 6512634
2-morpholin-4-ylsulfonyl-4-nitro-N-[(E)-thiophen-3-ylmethylideneamino]aniline
CID 42995165
2-morpholin-4-ylsulfonyl-4-nitro-N-[(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 4285928
2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline
CID 3910260
2-[(E)-[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135678967
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 6105790
4-methoxy-2-[[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3464213
2-(azepan-1-ylsulfonyl)-4-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
CID 6323562
4-(2-ethyl-5-nitrophenyl)sulfonylmorpholine
CID 47454150
N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5125969

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The IUPAC name of N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline (CID 3320010) is N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline.
What is the SMILES notation for N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The canonical SMILES for N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is CCc1ccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The InChIKey is JXLGLABSVVRMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-2-15-3-5-16(6-4-15)14-20-21-18-8-7-17(23(24)25)13-19(18)29(26,27)22-9-11-28-12-10-22/h3-8,13-14,21H,2,9-12H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline?
N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline has a molecular weight of 418.48 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline is sourced from PubChem (CID 3320010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).